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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL3964813
Molecular formula	C32H33ClN6O2S
IUPAC name	1-(6-chloro-1,3-benzothiazol-2-yl)-3-[2-[4-cyano-1'-(2,2-dimethylpropyl)-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]urea
Molecular weight	601.166
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	7.0
Synonyms	BDBM245338 SCHEMBL16782878 US9428504, 83
Inchi Key	BCHAEGWYWNMUIW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C32H33ClN6O2S/c1-31(2,3)18-38-14-12-32(13-15-38)19-39(28-25(40)11-8-20(17-34)27(28)32)24-7-5-4-6-22(24)35-29(41)37-30-36-23-10-9-21(33)16-26(23)42-30/h4-11,16,40H,12-15,18-19H2,1-3H3,(H2,35,36,37,41)
PubChem CID	118130691
ChEMBL	CHEMBL3964813
IUPHAR	N/A
BindingDB	245338
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
533987	P2Y purinoceptor 1	P47900	P2RY1	Homo sapiens (Human)	373

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